Thanks David.
Rakesh Srivastava
Research Fellow
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
India
On Thu, Mar 15, 2018 at 5:20 PM, David A Case <david.case.rutgers.edu>
wrote:
> On Thu, Mar 15, 2018, Rakesh Srivastava wrote:
>
> > Hello, I want to know that whether is it possible to mention the energy
> > gradient value up to which minimization process to be performed, prior to
> > starting minimization process. I do not want to run minimization process
> > for fixed number of cycles in advance.
>
> Please see the drms input parameter. Generally, energy miminization
> options are discussed in Section 17.6.5 of the Amber 2017 Reference
> Manual.
>
> ....dac
>
>
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Received on Thu Mar 15 2018 - 05:30:04 PDT
